Molecule

ID:17433

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3
InChIKey
BNBCJNJOLJAPMQ-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccco1)C
Isomeric Smiles
c1(C(NC)C)ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7686517
LogD (pH = 7.4)
-0.08376957
Log P
1.0084163
Molar Refractivity
36.1157
Polarizability
14.237279
Polar Surface Area
25.17
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation